2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid

C14H12ClNO3S — CID 60825769

IUPAC2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO3S/c15-10-3-1-4-11(7-10)16(9-14(18)19)13(17)8-12-5-2-6-20-12/h1-7H,8-9H2,(H,18,19)
InChIKeyDCTSNAMVDBXSJD-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid

2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid (PubChem CID 60825769) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
PubChem CID60825769
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO3S/c15-10-3-1-4-11(7-10)16(9-14(18)19)13(17)8-12-5-2-6-20-12/h1-7H,8-9H2,(H,18,19)
InChIKeyDCTSNAMVDBXSJD-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
2-(3-chloro-N-[2-(cyclohexen-1-yl)acetyl]anilino)acetic acid
CID 63565168
2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid
CID 61159944
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid
CID 62239396
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-[3-chloro-N-(3,4,4-trimethylpentanoyl)anilino]acetic acid
CID 63832859
2-[3-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159946
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-[3-chloro-N-(prop-2-enylcarbamoyl)anilino]acetic acid
CID 61193527
2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
CID 60826054

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid (CID 60825769) is 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid is O=C(O)CN(C(=O)Cc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid?
The InChIKey is DCTSNAMVDBXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-10-3-1-4-11(7-10)16(9-14(18)19)13(17)8-12-5-2-6-20-12/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid?
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid has a molecular weight of 309.77 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid is sourced from PubChem (CID 60825769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).